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6749 results: 6711 articles and 38 books or book chapters
Last updated: 2025/09/15-
1061 Understanding the effect of MPEG-PCE's microstructure on the adsorption and hydration of OPC
I. Emaldi, E. Erkizia, J. R. Leiza, and J. S. Dolado
J. Am. Ceram. Soc. 106, 2567 (2023). -
1062 Single-not double-3D-aromaticity in an oxidized closo icosahedral dodecaiodo-dodecaborate cluster
J. Poater, S. Escayola, A. Poater, F. Teixidor, H. Ottosson, C. Vinas, and M. Sola
J. Am. Chem. Soc. 145, 22527 (2023). -
1063 V-Shaped troger oligothiophenes boost triplet formation by CT mediation and symmetry breaking
S. M. Rivero, M. J. Alonso-Navarro, C. Tonnele, J. M. Marin-Beloqui, F. Suarez-Blas, T. M. Clarke, S. Kang, J. Oh, M. M. Ramos, D. Kim, D. Casanova, J. L. Segura, and J. Casado
J. Am. Chem. Soc. 145, 27295 (2023). -
1064 Accurate and efficient spin-phonon coupling and spin dynamics calculations for molecular solids
R. Nabi, J. K. Staab, A. Mattioni, J. G. C. Kragskow, D. Reta, J. M. Skelton, and N. F. Chilton
J. Am. Chem. Soc. 145, 24558 (2023). -
1065 Molecular bridge engineering for tuning quantum electronic transport and anisotropy in nanoporous graphene
C. Moreno, X. D. de Cerio, M. Vilas-Varela, M. Tenorio, A. Sarasola, M. Brandbyge, D. Pena, A. Garcia-Lekue, and A. Mugarza
J. Am. Chem. Soc. 145, 8988 (2023). -
1066 Tuning the diradical character of pentacene derivatives via non-benzenoid coupling motifs
T. Wang, P. Angulo-Portugal, A. Berdonces-Layunta, A. Jancarik, A. Gourdon, J. Holec, M. Kumar, D. Soler, P. Jelinek, D. Casanova, M. Corso, D. G. de Oteyza, and J. P. Calupitan
J. Am. Chem. Soc. 145, 10333 (2023). -
1067 Interplay between magnetism and topology: large topological Hall effect in an antiferromagnetic topological insulator, EuCuAs
S. Roychowdhury, K. Samanta, P. Yanda, B. Malaman, M. Yao, W. Schnelle, E. Guilmeau, P. Constantinou, S. Chandra, H. Borrmann, M. G. G. Vergniory, V. Strocov, C. Shekhar, and C. Felser
J. Am. Chem. Soc. 145, 12920 (2023). -
1068 Experimental observation of diffractive retroreflection from a dielectric metasurface
A. S. Kupriianov, V. V. Khardikov, K. Domina, S. L. Prosvirnin, W. Han, and V. R. Tuz
J. Appl. Phys. 133, 163101 (2023). -
1069 Molecular dynamics simulations of the calmodulin-induced α-helix in the SK2 calcium-gated potassium ion channel
R. Ramis, O. R. Ballesteros, A. Muguruza-Montero, S. M-Alicante, E. Nunez, A. Villarroel, A. Leonardo, and A. Bergara
J. Biol. Chem. 299, 102850 (2023). -
1070 Therapeutic effect of α7 nicotinic receptor activation after ischemic stroke in rats
L. Aguado, A. Joya, M. Garbizu, S. Plaza-Garcia, L. Iglesias, M. I. Hernandez, M. Ardaya, N. Mocha, V. Gomez-Vallejo, U. Cossio, M. Higuchi, A. Rodriguez-Antiguedad, M. M. Freijo, M. Domercq, C. Matute, P. Ramos-Cabrer, J. Llop, and A. Martin
J. Cereb. Blood Flow Metab. 43, 1301 (2023). -
1071 Multimerizations, aggregation, and transfer reactions of small numbers of molecules
R. Zangi
J. Chem Inf. Model. 63, 4383 (2023). -
1072 Molecular Berry curvatures and the adiabatic response tensors
R. Resta
J. Chem. Phys. 158, 024105 (2023). -
1073 Non-simple flow behavior in a polar van der Waals liquid: Structural relaxation under scrutiny
S. Arrese-Igor, A. Alegria, and J. Colmenero
J. Chem. Phys. 158, 174504 (2023). -
1074 The Debye's model for the dielectric relaxation of liquid water and the role of cross-dipolar correlations. A MD-simulations study
F. Alvarez, A. Arbe, and J. Colmenero
J. Chem. Phys. 159, 134505 (2023). -
1075 Outstanding improvement in removing the delocalization error by global natural orbital functional
J. F. H. Lew-Yee, M. Piris, and J. M. del Campo
J. Chem. Phys. 158, 084110 (2023). -
1076 Physical aging in molecular glasses beyond the α relaxation
V. Di Lisio, V. -M. Stavropoulou, and D. Cangialosi
J. Chem. Phys. 159, 064505 (2023). -
1077 Orbital-free density-functional theory for metal slabs
C. M. Horowitz, C. R. Proetto, and J. M. Pitarke
J. Chem. Phys. 159, 164112 (2023). -
1078 What can lattice DFT teach us about real-space DFT?
N. Sobrino, D. Jacob, and S. Kurth
J. Chem. Phys. 159, 154110 (2023). -
1079 Collective dynamics and self-motions in the van der Waals liquid tetrahydrofuran from meso- to inter-molecular scales disentangled by neutron spectroscopy with polarization analysis
A. Arbe, G. J. Nilsen, M. Devonport, B. Farago, F. Alvarez, J. A. M. Gonzalez, and J. Colmenero
J. Chem. Phys. 158, 184502 (2023). -
1080 Electron correlation in the Iron(II) porphyrin by natural orbital functional approximations
J. F. H. Lew-Yee, J. M. del Campo, and M. Piris
J. Chem. Theory Comput. 19, 211 (2023).